6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

C16H20ClN5O2 — CID 125022204

IUPAC6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)n1
InChIInChI=1S/C16H20ClN5O2/c1-2-7-22-10-12(17)14(20-22)15(23)21-8-3-4-11(9-21)13-5-6-18-16(24)19-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,19,24)/t11-/m0/s1
InChIKeyYOYYTJNEVDJRSP-NSHDSACASA-N
MW349.82 g/mol
LogP2.05
Rot. Bonds4

About 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 125022204) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID125022204
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)n1
InChIInChI=1S/C16H20ClN5O2/c1-2-7-22-10-12(17)14(20-22)15(23)21-8-3-4-11(9-21)13-5-6-18-16(24)19-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,19,24)/t11-/m0/s1
InChIKeyYOYYTJNEVDJRSP-NSHDSACASA-N
XLogP2.05
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

6-[1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115171
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95844686
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110096144
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270611
(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125016375
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115172
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
6-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115129

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (CID 125022204) is 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is CCCn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)n1.
What is the InChIKey of 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is YOYYTJNEVDJRSP-NSHDSACASA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-2-7-22-10-12(17)14(20-22)15(23)21-8-3-4-11(9-21)13-5-6-18-16(24)19-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,19,24)/t11-/m0/s1.
What are the key properties of 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 349.82 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 125022204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).